#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/46/4114670.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4114670
loop_
_publ_author_name
'Shin-ichiro Noro'
'Ryo Kitaura'
'Mitsuru Kondo'
'Susumu Kitagawa'
'Tomohiko Ishii'
'Hiroyuki Matsuzaka'
'Masahiro Yamashita'
_publ_section_title
;
 Framework Engineering by Anions and Porous Functionalities of
 Cu(II)/4,4'-bpy Coordination Polymers
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2568
_journal_page_last               2583
_journal_paper_doi               10.1021/ja0113192
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C20 H32 Cu F6 Ge N4 O8'
_chemical_formula_weight         706.62
_space_group_IT_number           123
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   11.113(4)
_cell_length_b                   11.113(4)
_cell_length_c                   8.263(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      10.2
_cell_volume                     1020.5(9)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9867
_diffrn_measured_fraction_theta_max 0.9867
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            740
_diffrn_reflns_theta_full        27.64
_diffrn_reflns_theta_max         27.64
_diffrn_standards_decay_%        28.72
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.318
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.150
_exptl_crystal_description       block
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.250
_refine_diff_density_max         0.59
_refine_diff_density_min         -0.82
_refine_ls_extinction_coef       0.007(6)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 gaussian isotropic'
_refine_ls_goodness_of_fit_ref   2.635
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     45
_refine_ls_number_reflns         363
_refine_ls_R_factor_gt           0.0758
_refine_ls_shift/su_max          0.0089
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00002|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0757
_reflns_number_gt                363
_reflns_number_total             740
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ja0113192_2.cif
_cod_data_source_block           {[Cu(GeF6)(4,4'-bpy)2].8H2O}n
_cod_original_cell_volume        1020.4(10)
_cod_original_formula_sum        'C20 H32 Cu F6 Ge N4 O8 '
_cod_database_code               4114670
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z
x,-y,z
-y,x,z
y,-x,z
y,x,z
-y,-x,z
-x,-y,-z
x,y,-z
x,-y,-z
-x,y,-z
y,-x,-z
-y,x,-z
-y,-x,-z
y,x,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
Ge(1) Ge 1.0000 0.0000 0.5000 0.074(1) Uani 1.00 d S
Cu(1) Cu 1.0000 0.0000 1.0000 0.0185(7) Uani 1.00 d S
F(1) F 1.0000 0.0000 0.707(1) 0.037(2) Uani 1.00 d S
F(2) F 1.144(2) 0.0000 0.5000 0.11(1) Uani 0.50 d SP
F(3) F 1.106(2) 1.1060 0.5000 0.073(5) Uani 0.50 d SP
O(1) O 0.5000 0.143(6) 0.5000 0.47(4) Uani 1.00 d S
O(2) O 1.244(6) 1.2437 0.5000 0.88(4) Uani 1.00 d S
N(1) N 1.181(1) 0.0000 1.0000 0.023(4) Uani 1.00 d S
C(1) C 1.239(1) 0.0000 1.124(2) 0.110(7) Uani 1.00 d S
C(2) C 1.369(1) 0.0000 1.134(2) 0.143(8) Uani 1.00 d S
C(3) C 1.432(1) 0.0000 1.0000 0.040(5) Uani 1.00 d S
H(1) H 1.1958 0.0000 1.2297 0.1158 Uiso 1.00 calc S
H(2) H 1.4099 0.0000 1.2352 0.1476 Uiso 1.00 calc S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Cu Cu 0.320 1.265
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Ge Ge 0.155 1.800
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
F F 0.017 0.010
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
F(1) Ge(1) F(1) 180.0 . 9_756 0_555 yes
F(1) Ge(1) F(2) 90.0 . . 0_555 yes
F(1) Ge(1) F(2) 90.0 . 5_645 0_555 yes
F(1) Ge(1) F(2) 90.0 . 6_665 0_555 yes
F(1) Ge(1) F(2) 90.0 . 2_755 0_555 yes
F(1) Ge(1) F(3) 90.0 . 1_545 0_555 yes
F(1) Ge(1) F(3) 90.0 . 4_565 0_555 yes
F(1) Ge(1) F(3) 90.0 . 3_745 0_555 yes
F(1) Ge(1) F(3) 90.0 . 2_765 0_555 yes
F(1) Ge(1) F(2) 90.0 9_756 . 0_555 yes
F(1) Ge(1) F(2) 90.0 9_756 5_645 0_555 yes
F(1) Ge(1) F(2) 90.0 9_756 6_665 0_555 yes
F(1) Ge(1) F(2) 90.0 9_756 2_755 0_555 yes
F(1) Ge(1) F(3) 90.0 9_756 1_545 0_555 yes
F(1) Ge(1) F(3) 90.0 9_756 4_565 0_555 yes
F(1) Ge(1) F(3) 90.0 9_756 3_745 0_555 yes
F(1) Ge(1) F(3) 90.0 9_756 2_765 0_555 yes
F(2) Ge(1) F(2) 90.0 . 5_645 0_555 yes
F(2) Ge(1) F(2) 90.0 . 6_665 0_555 yes
F(2) Ge(1) F(2) 180.0 . 2_755 0_555 yes
F(2) Ge(1) F(3) 45.000(10) . 1_545 0_555 yes
F(2) Ge(1) F(3) 45.000(10) . 4_565 0_555 yes
F(2) Ge(1) F(3) 135.000(10) . 3_745 0_555 yes
F(2) Ge(1) F(3) 135.000(10) . 2_765 0_555 yes
F(2) Ge(1) F(2) 180.0 5_645 6_665 0_555 yes
F(2) Ge(1) F(2) 90.0 5_645 2_755 0_555 yes
F(2) Ge(1) F(3) 45.000(10) 5_645 1_545 0_555 yes
F(2) Ge(1) F(3) 135.000(10) 5_645 4_565 0_555 yes
F(2) Ge(1) F(3) 45.000(10) 5_645 3_745 0_555 yes
F(2) Ge(1) F(3) 135.000(10) 5_645 2_765 0_555 yes
F(2) Ge(1) F(2) 90.0 6_665 2_755 0_555 yes
F(2) Ge(1) F(3) 135.000(10) 6_665 1_545 0_555 yes
F(2) Ge(1) F(3) 45.000(10) 6_665 4_565 0_555 yes
F(2) Ge(1) F(3) 135.000(10) 6_665 3_745 0_555 yes
F(2) Ge(1) F(3) 45.000(10) 6_665 2_765 0_555 yes
F(2) Ge(1) F(3) 135.000(10) 2_755 1_545 0_555 yes
F(2) Ge(1) F(3) 135.000(10) 2_755 4_565 0_555 yes
F(2) Ge(1) F(3) 45.000(10) 2_755 3_745 0_555 yes
F(2) Ge(1) F(3) 45.000(10) 2_755 2_765 0_555 yes
F(3) Ge(1) F(3) 90.00(2) 1_545 4_565 0_555 yes
F(3) Ge(1) F(3) 90.00(2) 1_545 3_745 0_555 yes
F(3) Ge(1) F(3) 180.0 1_545 2_765 0_555 yes
F(3) Ge(1) F(3) 180.0 4_565 3_745 0_555 yes
F(3) Ge(1) F(3) 90.00(2) 4_565 2_765 0_555 yes
F(3) Ge(1) F(3) 90.00(2) 3_745 2_765 0_555 yes
F(1) Cu(1) F(1) 180.0 . 9_757 0_555 yes
F(1) Cu(1) N(1) 90.0 . . 0_555 yes
F(1) Cu(1) N(1) 90.0 . 5_645 0_555 yes
F(1) Cu(1) N(1) 90.0 . 6_665 0_555 yes
F(1) Cu(1) N(1) 90.0 . 2_755 0_555 yes
F(1) Cu(1) N(1) 90.0 9_757 . 0_555 yes
F(1) Cu(1) N(1) 90.0 9_757 5_645 0_555 yes
F(1) Cu(1) N(1) 90.0 9_757 6_665 0_555 yes
F(1) Cu(1) N(1) 90.0 9_757 2_755 0_555 yes
N(1) Cu(1) N(1) 90.0 . 5_645 0_555 yes
N(1) Cu(1) N(1) 90.0 . 6_665 0_555 yes
N(1) Cu(1) N(1) 180.0 . 2_755 0_555 yes
N(1) Cu(1) N(1) 180.0 5_645 6_665 0_555 yes
N(1) Cu(1) N(1) 90.0 5_645 2_755 0_555 yes
N(1) Cu(1) N(1) 90.0 6_665 2_755 0_555 yes
Ge(1) F(1) Cu(1) 180.0 . . 0_555 yes
Ge(1) F(1) F(2) 43.1(5) . . 0_555 yes
Ge(1) F(1) F(2) 43.1(5) . 5_645 0_555 yes
Ge(1) F(1) F(2) 43.1(5) . 6_665 0_555 yes
Ge(1) F(1) F(2) 43.1(5) . 2_755 0_555 yes
Ge(1) F(1) F(3) 44.2(5) . 1_545 0_555 yes
Ge(1) F(1) F(3) 44.2(5) . 4_565 0_555 yes
Ge(1) F(1) F(3) 44.2(5) . 3_745 0_555 yes
Ge(1) F(1) F(3) 44.2(5) . 2_765 0_555 yes
Cu(1) F(1) F(2) 136.9(5) . . 0_555 yes
Cu(1) F(1) F(2) 136.9(5) . 5_645 0_555 yes
Cu(1) F(1) F(2) 136.9(5) . 6_665 0_555 yes
Cu(1) F(1) F(2) 136.9(5) . 2_755 0_555 yes
Cu(1) F(1) F(3) 135.8(5) . 1_545 0_555 yes
Cu(1) F(1) F(3) 135.8(5) . 4_565 0_555 yes
Cu(1) F(1) F(3) 135.8(5) . 3_745 0_555 yes
Cu(1) F(1) F(3) 135.8(5) . 2_765 0_555 yes
F(2) F(1) F(2) 57.8(6) . 5_645 0_555 yes
F(2) F(1) F(2) 57.8(6) . 6_665 0_555 yes
F(2) F(1) F(2) 86.2(10) . 2_755 0_555 yes
F(2) F(1) F(3) 30.7(2) . 1_545 0_555 yes
F(2) F(1) F(3) 30.7(2) . 4_565 0_555 yes
F(2) F(1) F(3) 79.3(6) . 3_745 0_555 yes
F(2) F(1) F(3) 79.3(6) . 2_765 0_555 yes
F(2) F(1) F(2) 86.2(10) 5_645 6_665 0_555 yes
F(2) F(1) F(2) 57.8(6) 5_645 2_755 0_555 yes
F(2) F(1) F(3) 30.7(2) 5_645 1_545 0_555 yes
F(2) F(1) F(3) 79.3(6) 5_645 4_565 0_555 yes
F(2) F(1) F(3) 30.7(2) 5_645 3_745 0_555 yes
F(2) F(1) F(3) 79.3(6) 5_645 2_765 0_555 yes
F(2) F(1) F(2) 57.8(6) 6_665 2_755 0_555 yes
F(2) F(1) F(3) 79.3(6) 6_665 1_545 0_555 yes
F(2) F(1) F(3) 30.7(2) 6_665 4_565 0_555 yes
F(2) F(1) F(3) 79.3(6) 6_665 3_745 0_555 yes
F(2) F(1) F(3) 30.7(2) 6_665 2_765 0_555 yes
F(2) F(1) F(3) 79.3(6) 2_755 1_545 0_555 yes
F(2) F(1) F(3) 79.3(6) 2_755 4_565 0_555 yes
F(2) F(1) F(3) 30.7(2) 2_755 3_745 0_555 yes
F(2) F(1) F(3) 30.7(2) 2_755 2_765 0_555 yes
F(3) F(1) F(3) 59.1(6) 1_545 4_565 0_555 yes
F(3) F(1) F(3) 59.1(6) 1_545 3_745 0_555 yes
F(3) F(1) F(3) 88.5(10) 1_545 2_765 0_555 yes
F(3) F(1) F(3) 88.5(10) 4_565 3_745 0_555 yes
F(3) F(1) F(3) 59.1(6) 4_565 2_765 0_555 yes
F(3) F(1) F(3) 59.1(6) 3_745 2_765 0_555 yes
Ge(1) F(2) F(1) 46.9(5) . . 0_555 yes
Ge(1) F(2) F(1) 46.9(5) . 9_756 0_555 yes
Ge(1) F(2) F(2) 45.000(10) . 5_645 0_555 yes
Ge(1) F(2) F(2) 45.000(10) . 6_665 0_555 yes
Ge(1) F(2) F(3) 70(1) . 1_545 0_555 yes
Ge(1) F(2) F(3) 70(1) . 4_565 0_555 yes
F(1) F(2) F(1) 93.8(10) . 9_756 0_555 yes
F(1) F(2) F(2) 61.1(3) . 5_645 0_555 yes
F(1) F(2) F(2) 61.1(3) . 6_665 0_555 yes
F(1) F(2) F(3) 76(1) . 1_545 0_555 yes
F(1) F(2) F(3) 76(1) . 4_565 0_555 yes
F(1) F(2) F(2) 61.1(3) 9_756 5_645 0_555 yes
F(1) F(2) F(2) 61.1(3) 9_756 6_665 0_555 yes
F(1) F(2) F(3) 76(1) 9_756 1_545 0_555 yes
F(1) F(2) F(3) 76(1) 9_756 4_565 0_555 yes
F(2) F(2) F(2) 90.00(2) 5_645 6_665 0_555 yes
F(2) F(2) F(3) 25(1) 5_645 1_545 0_555 yes
F(2) F(2) F(3) 115(1) 5_645 4_565 0_555 yes
F(2) F(2) F(3) 115(1) 6_665 1_545 0_555 yes
F(2) F(2) F(3) 25(1) 6_665 4_565 0_555 yes
F(3) F(2) F(3) 140(3) 1_545 4_565 0_555 yes
Ge(1) F(3) F(1) 45.8(5) 1_565 1_565 0_555 yes
Ge(1) F(3) F(1) 45.8(5) 1_565 9_766 0_555 yes
Ge(1) F(3) F(2) 64(1) 1_565 1_565 0_555 yes
Ge(1) F(3) F(2) 64(1) 1_565 5_655 0_555 yes
Ge(1) F(3) F(3) 45.000(10) 1_565 4_575 0_555 yes
Ge(1) F(3) F(3) 45.000(10) 1_565 3_755 0_555 yes
Ge(1) F(3) O(2) 180.0 1_565 . 0_555 yes
F(1) F(3) F(1) 91.5(10) 1_565 9_766 0_555 yes
F(1) F(3) F(2) 72(1) 1_565 1_565 0_555 yes
F(1) F(3) F(2) 72(1) 1_565 5_655 0_555 yes
F(1) F(3) F(3) 60.4(3) 1_565 4_575 0_555 yes
F(1) F(3) F(3) 60.4(3) 1_565 3_755 0_555 yes
F(1) F(3) O(2) 134.2(5) 1_565 . 0_555 yes
F(1) F(3) F(2) 72(1) 9_766 1_565 0_555 yes
F(1) F(3) F(2) 72(1) 9_766 5_655 0_555 yes
F(1) F(3) F(3) 60.4(3) 9_766 4_575 0_555 yes
F(1) F(3) F(3) 60.4(3) 9_766 3_755 0_555 yes
F(1) F(3) O(2) 134.2(5) 9_766 . 0_555 yes
F(2) F(3) F(2) 129(3) 1_565 5_655 0_555 yes
F(2) F(3) F(3) 19(1) 1_565 4_575 0_555 yes
F(2) F(3) F(3) 109(1) 1_565 3_755 0_555 yes
F(2) F(3) O(2) 115(1) 1_565 . 0_555 yes
F(2) F(3) F(3) 109(1) 5_655 4_575 0_555 yes
F(2) F(3) F(3) 19(1) 5_655 3_755 0_555 yes
F(2) F(3) O(2) 115(1) 5_655 . 0_555 yes
F(3) F(3) F(3) 90.0 4_575 3_755 0_555 yes
F(3) F(3) O(2) 135.000(10) 4_575 . 0_555 yes
F(3) F(3) O(2) 135.000(10) 3_755 . 0_555 yes
Cu(1) N(1) C(1) 122.2(8) . . 0_555 yes
Cu(1) N(1) C(1) 122.2(8) . 10_557 0_555 yes
Cu(1) N(1) C(2) 152.1(3) . . 0_555 yes
Cu(1) N(1) C(2) 152.1(3) . 10_557 0_555 yes
C(1) N(1) C(1) 115(1) . 10_557 0_555 yes
C(1) N(1) C(2) 29.8(8) . . 0_555 yes
C(1) N(1) C(2) 85.7(9) . 10_557 0_555 yes
C(1) N(1) C(2) 85.7(9) 10_557 . 0_555 yes
C(1) N(1) C(2) 29.8(8) 10_557 10_557 0_555 yes
C(2) N(1) C(2) 55.9(7) . 10_557 0_555 yes
N(1) C(1) C(1) 32.2(8) . 10_557 0_555 yes
N(1) C(1) C(2) 125(1) . . 0_555 yes
N(1) C(1) C(3) 96.7(10) . . 0_555 yes
C(1) C(1) C(2) 93.4(9) 10_557 . 0_555 yes
C(1) C(1) C(3) 64.5(4) 10_557 . 0_555 yes
C(2) C(1) C(3) 28.9(7) . . 0_555 yes
N(1) C(2) C(1) 24.6(8) . . 0_555 yes
N(1) C(2) C(2) 62.1(3) . 10_557 0_555 yes
N(1) C(2) C(3) 94.4(8) . . 0_555 yes
C(1) C(2) C(2) 86.6(9) . 10_557 0_555 yes
C(1) C(2) C(3) 118(1) . . 0_555 yes
C(2) C(2) C(3) 32.3(7) 10_557 . 0_555 yes
C(1) C(3) C(1) 51.0(9) . 10_557 0_555 yes
C(1) C(3) C(2) 32.2(8) . . 0_555 yes
C(1) C(3) C(2) 83.2(9) . 10_557 0_555 yes
C(1) C(3) C(3) 154.5(4) . 2_855 0_555 yes
C(1) C(3) C(2) 83.2(9) 10_557 . 0_555 yes
C(1) C(3) C(2) 32.2(8) 10_557 10_557 0_555 yes
C(1) C(3) C(3) 154.5(4) 10_557 2_855 0_555 yes
C(2) C(3) C(2) 115(1) . 10_557 0_555 yes
C(2) C(3) C(3) 122.3(7) . 2_855 0_555 yes
C(2) C(3) C(3) 122.3(7) 10_557 2_855 0_555 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ge(1) F(1) 1.71(1) . yes
Ge(1) F(1) 1.71(1) 9_756 yes
Ge(1) F(2) 1.60(3) . yes
Ge(1) F(2) 1.60(3) 5_645 yes
Ge(1) F(2) 1.60(3) 6_665 yes
Ge(1) F(2) 1.60(3) 2_755 yes
Ge(1) F(3) 1.67(3) 1_545 yes
Ge(1) F(3) 1.67(3) 4_565 yes
Ge(1) F(3) 1.67(3) 3_745 yes
Ge(1) F(3) 1.67(3) 2_765 yes
Cu(1) F(1) 2.42(1) . yes
Cu(1) F(1) 2.42(1) 9_757 yes
Cu(1) N(1) 2.01(1) . yes
Cu(1) N(1) 2.01(1) 5_645 yes
Cu(1) N(1) 2.01(1) 6_665 yes
Cu(1) N(1) 2.01(1) 2_755 yes
F(1) F(2) 2.34(2) . yes
F(1) F(2) 2.34(2) 5_645 yes
F(1) F(2) 2.34(2) 6_665 yes
F(1) F(2) 2.34(2) 2_755 yes
F(1) F(3) 2.39(2) 1_545 yes
F(1) F(3) 2.39(2) 4_565 yes
F(1) F(3) 2.39(2) 3_745 yes
F(1) F(3) 2.39(2) 2_765 yes
F(2) F(2) 2.26(4) 5_645 yes
F(2) F(2) 2.26(4) 6_665 yes
F(2) F(3) 1.25(1) 1_545 yes
F(2) F(3) 1.25(1) 4_565 yes
F(3) F(3) 2.36(4) 4_575 yes
F(3) F(3) 2.36(4) 3_755 yes
F(3) O(2) 2.16(9) . yes
N(1) C(1) 1.21(2) . yes
N(1) C(1) 1.21(2) 10_557 yes
N(1) C(2) 2.36(2) . yes
N(1) C(2) 2.36(2) 10_557 yes
C(1) C(1) 2.04(3) 10_557 yes
C(1) C(2) 1.44(2) . yes
C(1) C(3) 2.37(2) . yes
C(2) C(2) 2.21(3) 10_557 yes
C(2) C(3) 1.31(1) . yes
C(3) C(3) 1.51(3) 2_855 yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
Cu(1) C(1) 2.85(2) 9_757
Cu(1) C(1) 2.85(2) 13_667
Cu(1) C(1) 2.85(2) 14_647
F(1) C(1) 3.00(1) 9_757
F(1) C(1) 3.00(1) 10_557
F(1) C(1) 3.00(1) 13_667
F(1) C(1) 3.00(1) 14_647
F(1) N(1) 3.15(1) .
F(1) N(1) 3.15(1) 2_755
F(1) N(1) 3.15(1) 5_645
F(1) N(1) 3.15(1) 6_665
F(2) O(2) 2.93(8) 1_545
F(2) O(2) 2.93(8) 4_565
F(2) F(3) 3.02(3) 2_765
F(2) F(3) 3.02(3) 3_745
F(2) C(1) 3.28(2) 1_554
F(2) C(1) 3.28(2) 10_557
O(1) O(2) 3.06(4) 1_445
O(1) O(2) 3.06(4) 3_745
O(1) O(1) 3.2(1) 2_655
